2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one
TL;DR: 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one (CAS 221289-97-0) is a chemical compound with molecular formula C13H17ClN2O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylsulfonylpiperazin-1-yl)-2-chloroethanone
Also Known As: 2-chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one, 1-(benzylsulfonyl)-4-(chloroacetyl)piperazine, 1-(4-benzylsulfonylpiperazin-1-yl)-2-chloroethanone, 1-(4-(Benzylsulfonyl)piperazin-1-yl)-2-chloroethan-1-one, 1-(4-benzylsulfonylpiperazin-1-yl)-2-chloro-ethanone
| Molecular Formula | C13H17ClN2O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 0.8994 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06485 |
| Heavy Atoms | 20 |
| Complexity | 554.23883 |
Chemical Identifiers
| CAS Number | 221289-97-0 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCl)S(=O)(=O)CC2=CC=CC=C2 |
Product Overview
2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one (CAS 221289-97-0), with molecular formula C13H17ClN2O3S and molecular weight 316.06 g/mol. IUPAC: 1-(4-benzylsulfonylpiperazin-1-yl)-2-chloroethanone.
Chemical Property Profile of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one
Property Insights of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one
The XLogP value of 0.8994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 57.69 Ų, 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one?
The CAS number of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one is 221289-97-0.
What is the molecular formula of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one?
The molecular formula of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one is C13H17ClN2O3S.
What is the molecular weight of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one?
The molecular weight of 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one is 316.06 g/mol.
Where can I buy 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one?
You can request a quote for 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(4-phenylmethanesulfonylpiperazin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.